N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C29H34N6O3 — CID 138403984

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CN3CCOCC3)c2)nc2c1cnn2C(C)C
InChIInChI=1S/C29H34N6O3/c1-18(2)35-27-25(16-31-35)23(28(36)30-15-24-19(3)12-20(4)32-29(24)37)14-26(33-27)22-7-5-6-21(13-22)17-34-8-10-38-11-9-34/h5-7,12-14,16,18,24H,8-11,15,17H2,1-4H3,(H,30,36)
InChIKeyYYGADWYSIUEHKY-UHFFFAOYSA-N
MW514.63 g/mol
LogP3.80
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 138403984) has the molecular formula C29H34N6O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID138403984
Molecular FormulaC29H34N6O3
Molecular Weight514.63 g/mol
Exact Mass514.27
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CN3CCOCC3)c2)nc2c1cnn2C(C)C
InChIInChI=1S/C29H34N6O3/c1-18(2)35-27-25(16-31-35)23(28(36)30-15-24-19(3)12-20(4)32-29(24)37)14-26(33-27)22-7-5-6-21(13-22)17-34-8-10-38-11-9-34/h5-7,12-14,16,18,24H,8-11,15,17H2,1-4H3,(H,30,36)
InChIKeyYYGADWYSIUEHKY-UHFFFAOYSA-N
XLogP3.80
TPSA101.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 138403984) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CN3CCOCC3)c2)nc2c1cnn2C(C)C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YYGADWYSIUEHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O3/c1-18(2)35-27-25(16-31-35)23(28(36)30-15-24-19(3)12-20(4)32-29(24)37)14-26(33-27)22-7-5-6-21(13-22)17-34-8-10-38-11-9-34/h5-7,12-14,16,18,24H,8-11,15,17H2,1-4H3,(H,30,36).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 514.63 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 138403984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).